#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1ueq s SER 2 N 0.00 -0.35 -0.29 1.61 0.15 -1.26 -5.13 113.70 108.44 1ueq s SER 2 Ca 0.00 -0.41 0.03 0.00 0.70 0.00 0.00 55.95 56.27 1ueq s SER 2 Cb 0.00 0.65 0.18 0.00 -1.71 0.00 0.00 66.02 65.14 1ueq s SER 2 CO 0.00 -1.15 0.51 -0.55 1.20 0.00 0.00 173.24 173.25 1ueq s SER 3 N -2.86 -0.74 0.95 5.45 0.15 -1.26 -5.17 113.70 110.21 1ueq s SER 3 Ca 0.08 0.06 -0.14 0.00 0.70 0.00 0.00 55.95 56.65 1ueq s SER 3 Cb -0.03 1.65 0.21 0.00 -1.71 0.00 0.00 66.02 66.14 1ueq s SER 3 CO -0.01 -0.32 1.29 -0.83 1.20 0.00 0.00 173.24 174.58 1ueq s GLY 4 N 2.71 1.80 0.32 9.45 0.00 -1.26 -5.13 107.32 115.21 1ueq s GLY 4 Ca 0.11 -1.38 -0.02 0.00 0.00 0.00 0.00 44.72 43.44 1ueq s GLY 4 CO -0.26 -0.59 0.42 -0.45 0.00 0.00 0.00 173.10 172.21 1ueq s SER 5 N -4.92 0.86 0.38 1.64 0.15 -1.26 -5.19 113.70 105.37 1ueq s SER 5 Ca 0.75 -1.46 0.05 0.00 0.70 0.00 0.00 55.95 55.99 1ueq s SER 5 Cb -0.03 0.62 -0.07 0.00 -1.71 0.00 0.00 66.02 64.83 1ueq s SER 5 CO 0.52 -1.21 0.03 -0.44 1.20 0.00 0.00 173.24 173.34 1ueq s SER 6 N -3.23 3.25 0.00 5.45 0.01 -1.26 -5.07 113.70 112.85 1ueq s SER 6 Ca 0.32 -1.40 0.00 0.00 1.31 0.00 0.00 55.95 56.18 1ueq s SER 6 Cb 0.01 -0.19 0.00 0.00 0.21 0.00 0.00 66.02 66.05 1ueq s SER 6 CO 0.20 -0.55 0.00 0.61 0.41 0.00 0.00 173.24 173.90 1ueq n GLY 7 N -0.87 -1.20 0.00 3.44 0.00 -1.26 -5.08 105.19 100.22 1ueq n GLY 7 Ca -0.05 -0.92 0.00 0.00 0.00 0.00 0.00 46.02 45.06 1ueq n GLY 7 CO 0.00 0.00 0.00 1.04 0.00 0.00 0.00 173.32 174.36 1ueq n LEU 8 N 0.00 0.00 -4.71 0.99 4.32 -1.26 -5.07 117.00 111.27 1ueq n LEU 8 Ca 0.00 0.00 -0.31 0.00 -0.02 0.00 0.00 56.01 55.68 1ueq n LEU 8 Cb 0.00 0.00 0.13 0.00 -1.62 0.00 0.00 43.42 41.93 1ueq n LEU 8 CO 0.00 0.00 0.70 0.12 -1.22 0.00 0.00 177.39 176.99 1ueq s PHE 9 N 0.09 2.02 0.00 -1.77 5.36 -1.26 -5.08 117.98 117.34 1ueq s PHE 9 Ca 0.00 1.69 0.00 0.00 -0.96 0.00 0.00 56.93 57.66 1ueq s PHE 9 Cb 0.00 -3.26 0.00 0.00 -0.34 0.00 0.00 43.02 39.42 1ueq s PHE 9 CO 0.00 -2.42 0.00 2.41 -1.46 0.00 0.00 175.22 173.75 1ueq n THR 10 N -3.74 0.00 0.00 0.12 -1.04 -1.26 -5.04 114.28 103.31 1ueq n THR 10 Ca 0.11 0.00 0.00 0.00 -2.04 0.00 0.00 64.05 62.12 1ueq n THR 10 Cb 0.52 0.00 0.00 0.00 -1.82 0.00 0.00 70.33 69.03 1ueq n THR 10 CO 0.00 0.00 0.00 0.54 -0.64 0.00 0.00 175.07 174.97 1ueq n ARG 11 N 0.00 0.00 -0.55 -2.82 1.74 -1.26 -4.95 116.66 108.82 1ueq n ARG 11 Ca 0.00 0.00 0.09 0.00 -0.77 0.00 0.00 57.85 57.17 1ueq n ARG 11 Cb 0.00 0.00 0.33 0.00 -1.02 0.00 0.00 32.46 31.77 1ueq n ARG 11 CO 0.00 0.00 0.00 -3.47 -1.52 0.00 0.00 177.63 172.64 1ueq n ASP 12 N 0.00 4.51 0.00 0.55 2.03 -1.26 -4.91 116.55 117.46 1ueq n ASP 12 Ca 0.00 -2.44 0.00 0.00 0.52 0.00 0.00 54.79 52.87 1ueq n ASP 12 Cb 0.00 -0.54 0.00 0.00 -0.72 0.00 0.00 41.12 39.86 1ueq n ASP 12 CO 0.00 0.00 0.00 0.00 -1.92 0.00 0.00 177.20 175.28 1ueq n ALA 13 N 0.95 0.00 0.20 -1.67 0.00 -1.26 -4.86 120.51 113.87 1ueq n ALA 13 Ca 0.24 0.00 0.04 0.00 0.00 0.00 0.00 53.44 53.72 1ueq n ALA 13 Cb 0.84 -0.16 0.40 0.00 0.00 0.00 0.00 19.45 20.53 1ueq n ALA 13 CO 0.00 0.00 0.00 0.77 0.00 0.00 0.00 177.50 178.27 1ueq h SER 14 N 0.00 0.00 -0.01 0.00 0.02 -1.97 -0.94 113.55 110.65 1ueq h SER 14 Ca 0.00 0.00 0.00 0.00 -0.84 0.00 0.00 61.79 60.95 1ueq h SER 14 Cb 0.00 0.00 0.00 0.00 0.14 0.00 0.00 62.40 62.54 1ueq h SER 14 CO 0.00 0.33 0.00 0.00 -1.14 0.00 0.00 176.83 176.02 1ueq n GLN 15 N -4.06 1.23 -2.29 3.45 6.02 -1.26 -4.72 117.38 115.75 1ueq n GLN 15 Ca -0.02 -0.34 -0.40 0.00 -0.01 0.00 0.00 57.00 56.23 1ueq n GLN 15 Cb 0.38 -1.47 -0.03 0.00 1.02 0.00 0.00 30.24 30.14 1ueq n GLN 15 CO 0.00 0.00 0.00 -0.51 -1.01 0.00 0.00 177.06 175.54 1ueq s LEU 16 N -1.94 4.45 -0.15 1.08 1.43 -0.36 -4.98 118.68 118.21 1ueq s LEU 16 Ca 0.42 2.47 -0.05 0.00 -1.03 0.00 0.00 54.13 55.94 1ueq s LEU 16 Cb 0.21 -3.69 -0.04 0.00 0.03 0.00 0.00 46.19 42.70 1ueq s LEU 16 CO 0.34 -0.39 0.02 -0.75 0.23 0.00 0.00 176.35 175.80 1ueq s LYS 17 N -1.72 3.69 0.00 1.70 2.47 -1.26 -5.01 119.74 119.62 1ueq s LYS 17 Ca 0.48 -0.40 0.00 0.00 -1.56 0.00 0.00 55.97 54.49 1ueq s LYS 17 Cb -0.35 -3.05 0.00 0.00 -1.46 0.00 0.00 37.83 32.97 1ueq s LYS 17 CO 0.46 0.36 0.00 0.41 0.16 0.00 0.00 175.35 176.74 1ueq n GLY 18 N 3.23 -0.34 2.94 5.54 0.00 -1.26 -4.58 105.19 110.71 1ueq n GLY 18 Ca -0.17 -1.42 -0.18 0.00 0.00 0.00 0.00 46.02 44.26 1ueq n GLY 18 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 1ueq s THR 19 N -2.82 0.49 0.05 2.61 2.01 0.04 -4.92 115.64 113.11 1ueq s THR 19 Ca 0.00 -0.21 0.01 0.00 0.31 0.00 0.00 61.69 61.80 1ueq s THR 19 Cb 0.00 -0.45 -0.04 0.00 0.01 0.00 0.00 72.50 72.02 1ueq s THR 19 CO 0.00 0.16 0.14 -0.36 -0.69 0.00 0.00 174.62 173.87 1ueq s PHE 20 N 0.21 3.35 0.21 4.92 0.40 -1.26 -0.73 117.98 125.08 1ueq s PHE 20 Ca -0.02 0.18 -0.06 0.00 -0.60 0.00 0.00 56.93 56.43 1ueq s PHE 20 Cb -0.07 -1.70 -0.02 0.00 0.51 0.00 0.00 43.02 41.74 1ueq s PHE 20 CO -0.00 0.56 0.26 -0.48 0.70 0.00 0.00 175.22 176.26 1ueq s LEU 21 N -2.32 0.90 0.01 -0.37 -0.00 -1.02 -5.01 118.68 110.88 1ueq s LEU 21 Ca 0.30 -1.16 0.01 0.00 -0.00 0.00 0.00 54.13 53.29 1ueq s LEU 21 Cb -0.12 0.93 -0.01 0.00 -0.00 0.00 0.00 46.19 46.99 1ueq s LEU 21 CO 0.23 -0.94 -0.04 -0.94 -0.00 0.00 0.00 176.35 174.66 1ueq s SER 22 N -3.08 0.48 0.05 1.48 1.04 -1.26 -1.52 113.70 110.88 1ueq s SER 22 Ca 0.30 -0.18 -0.02 0.00 0.48 0.00 0.00 55.95 56.53 1ueq s SER 22 Cb 0.04 -0.02 -0.03 0.00 0.10 0.00 0.00 66.02 66.11 1ueq s SER 22 CO 0.09 -0.02 0.01 0.28 0.98 0.00 0.00 173.24 174.58 1ueq s THR 23 N -0.39 0.18 -0.24 2.02 -1.32 -0.82 -5.00 115.64 110.06 1ueq s THR 23 Ca -0.02 -1.46 -0.01 0.00 -1.21 0.00 0.00 61.69 58.99 1ueq s THR 23 Cb -0.03 -1.16 0.07 0.00 -1.51 0.00 0.00 72.50 69.87 1ueq s THR 23 CO -0.00 -0.81 0.04 -0.89 -2.21 0.00 0.00 174.62 170.75 1ueq s THR 24 N -3.22 0.88 0.21 5.08 2.01 -1.26 -0.88 115.64 118.46 1ueq s THR 24 Ca 0.00 -1.01 0.01 0.00 0.31 0.00 0.00 61.69 61.01 1ueq s THR 24 Cb 0.03 -1.43 -0.04 0.00 0.01 0.00 0.00 72.50 71.07 1ueq s THR 24 CO -0.07 -0.35 0.38 -0.76 -0.69 0.00 0.00 174.62 173.12 1ueq s LEU 25 N 1.66 4.25 -0.10 4.42 1.43 -1.19 -4.91 118.68 124.24 1ueq s LEU 25 Ca 0.02 0.28 -0.03 0.00 -1.03 0.00 0.00 54.13 53.38 1ueq s LEU 25 Cb -0.18 -3.06 -0.03 0.00 0.03 0.00 0.00 46.19 42.95 1ueq s LEU 25 CO -0.13 -0.05 0.00 -0.75 0.23 0.00 0.00 176.35 175.65 1ueq s LYS 26 N -3.54 3.13 -0.41 1.70 2.20 -1.26 -2.42 119.74 119.13 1ueq s LYS 26 Ca 0.37 -0.41 -0.27 0.00 -0.36 0.00 0.00 55.97 55.30 1ueq s LYS 26 Cb -0.10 -2.84 -0.06 0.00 -1.51 0.00 0.00 37.83 33.32 1ueq s LYS 26 CO 0.30 0.63 2.27 0.21 -0.36 0.00 0.00 175.35 178.40 1ueq s LYS 27 N -0.67 2.50 0.29 4.03 2.20 0.40 -4.88 119.74 123.61 1ueq s LYS 27 Ca 0.11 1.52 -0.04 0.00 -0.36 0.00 0.00 55.97 57.19 1ueq s LYS 27 Cb -0.12 -4.49 0.07 0.00 -1.51 0.00 0.00 37.83 31.78 1ueq s LYS 27 CO 0.02 -2.82 0.40 -1.13 -0.36 0.00 0.00 175.35 171.46 1ueq n SER 28 N 14.14 0.13 -0.30 1.43 3.41 -0.59 -4.23 113.62 127.61 1ueq n SER 28 Ca 0.33 -1.20 0.13 0.00 -0.26 0.00 0.00 58.87 57.86 1ueq n SER 28 Cb 0.51 -0.30 0.37 0.00 -0.26 0.00 0.00 64.21 64.54 1ueq n SER 28 CO 0.00 0.00 0.00 -1.13 -0.16 0.00 0.00 175.04 173.75 1ueq h ASN 29 N -0.47 0.67 -0.52 4.04 -1.24 -2.02 -1.99 115.58 114.05 1ueq h ASN 29 Ca -0.13 0.06 0.00 0.00 0.71 0.00 0.00 56.30 56.94 1ueq h ASN 29 Cb 0.38 -0.07 0.00 0.00 0.73 0.00 0.00 38.32 39.36 1ueq h ASN 29 CO 0.10 0.30 0.00 1.15 -1.29 0.00 0.00 177.43 177.69 1ueq n MET 30 N -4.61 3.18 0.00 6.67 0.00 -1.26 -5.05 117.12 116.05 1ueq n MET 30 Ca 0.20 -2.59 0.00 0.00 0.00 0.00 0.00 57.70 55.31 1ueq n MET 30 Cb 0.53 -1.64 0.00 0.00 0.00 0.00 0.00 33.22 32.12 1ueq n MET 30 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 175.97 176.38 1ueq n GLY 31 N 0.81 1.04 3.30 3.17 0.00 -0.75 -4.82 105.19 107.95 1ueq n GLY 31 Ca 0.21 -0.79 -0.23 0.00 0.00 0.00 0.00 46.02 45.21 1ueq n GLY 31 CO 0.00 0.00 0.00 -1.36 0.00 0.00 0.00 173.32 171.96 1ueq s PHE 32 N 0.00 1.78 -0.19 1.61 0.08 -1.26 -1.54 117.98 118.46 1ueq s PHE 32 Ca 0.00 -0.44 -0.00 0.00 0.12 0.00 0.00 56.93 56.60 1ueq s PHE 32 Cb 0.00 -0.94 0.13 0.00 -0.57 0.00 0.00 43.02 41.64 1ueq s PHE 32 CO 0.00 0.25 1.97 0.41 -0.10 0.00 0.00 175.22 177.75 1ueq n GLY 33 N 0.76 3.43 3.40 4.36 0.00 -1.26 -4.80 105.19 111.09 1ueq n GLY 33 Ca -0.17 -0.65 -0.10 0.00 0.00 0.00 0.00 46.02 45.11 1ueq n GLY 33 CO 0.00 0.00 0.00 -0.11 0.00 0.00 0.00 173.32 173.21 1ueq s PHE 34 N -1.10 0.37 0.07 1.61 -0.71 -1.26 -0.48 117.98 116.49 1ueq s PHE 34 Ca 0.19 -0.73 0.02 0.00 -1.04 0.00 0.00 56.93 55.37 1ueq s PHE 34 Cb 0.15 0.02 -0.03 0.00 -1.21 0.00 0.00 43.02 41.94 1ueq s PHE 34 CO -0.00 -0.79 -0.08 0.95 -1.34 0.00 0.00 175.22 173.96 1ueq s THR 35 N -3.98 0.66 0.29 -4.49 -4.23 0.28 -4.87 115.64 99.29 1ueq s THR 35 Ca 0.19 -1.48 0.11 0.00 -1.18 0.00 0.00 61.69 59.33 1ueq s THR 35 Cb 0.02 -1.12 -0.05 0.00 1.34 0.00 0.00 72.50 72.69 1ueq s THR 35 CO 0.02 -0.59 -0.17 -0.63 -0.54 0.00 0.00 174.62 172.71 1ueq s ILE 36 N -2.37 2.51 0.09 2.99 1.09 -1.26 -0.41 121.20 123.84 1ueq s ILE 36 Ca 0.00 -2.34 0.02 0.00 -1.10 0.00 0.00 60.65 57.23 1ueq s ILE 36 Cb -0.03 -2.39 -0.04 0.00 -1.06 0.00 0.00 42.46 38.94 1ueq s ILE 36 CO -0.02 -0.37 -0.06 -0.51 -0.10 0.00 0.00 174.94 173.88 1ueq s ILE 37 N -2.51 0.66 0.05 2.92 2.07 -0.06 -4.55 121.20 119.78 1ueq s ILE 37 Ca 0.31 -1.91 0.02 0.00 -1.41 0.00 0.00 60.65 57.65 1ueq s ILE 37 Cb -0.04 -1.66 -0.03 0.00 0.13 0.00 0.00 42.46 40.87 1ueq s ILE 37 CO 0.16 -0.87 -0.07 -0.83 -1.91 0.00 0.00 174.94 171.42 1ueq s GLY 38 N -3.01 0.52 0.00 1.50 0.00 -1.26 -1.51 107.32 103.56 1ueq s GLY 38 Ca 0.11 -0.87 0.00 0.00 0.00 0.00 0.00 44.72 43.97 1ueq s GLY 38 CO -0.05 -0.93 0.66 0.61 0.00 0.00 0.00 173.10 173.39 1ueq n GLY 39 N 1.15 -3.00 0.00 0.20 0.00 -0.95 -4.93 105.19 97.66 1ueq n GLY 39 Ca -0.21 0.21 0.00 0.00 0.00 0.00 0.00 46.02 46.03 1ueq n GLY 39 CO 0.00 0.00 0.00 1.34 0.00 0.00 0.00 173.32 174.66 1ueq n ASP 40 N -1.18 0.00 -4.29 1.61 2.03 -1.26 -5.10 116.55 108.37 1ueq n ASP 40 Ca 0.00 0.00 -0.15 0.00 0.52 0.00 0.00 54.79 55.16 1ueq n ASP 40 Cb 0.00 0.00 -0.10 0.00 -0.72 0.00 0.00 41.12 40.30 1ueq n ASP 40 CO 0.00 0.00 0.00 -1.61 -1.92 0.00 0.00 177.20 173.67 1ueq s GLU 41 N -0.35 1.29 0.00 -0.67 2.02 -1.26 -5.04 118.70 114.68 1ueq s GLU 41 Ca 0.00 -1.67 0.00 0.00 0.02 0.00 0.00 54.97 53.32 1ueq s GLU 41 Cb 0.00 -0.27 0.00 0.00 0.10 0.00 0.00 34.13 33.96 1ueq s GLU 41 CO 0.00 -0.22 0.85 -0.35 0.02 0.00 0.00 175.26 175.56 1ueq n PRO 42 N -0.37 0.54 0.00 0.39 -0.04 -1.26 -2.51 135.00 131.75 1ueq n PRO 42 Ca -0.03 0.00 0.00 0.00 -0.04 0.00 0.00 63.50 63.43 1ueq n PRO 42 Cb 0.65 -1.23 0.00 0.00 -0.04 0.00 0.00 33.50 32.88 1ueq n PRO 42 CO 0.00 0.00 0.00 -3.47 -0.04 0.00 0.00 175.50 171.99 1ueq n ASP 43 N 1.29 0.00 -4.75 3.54 2.03 -1.21 -4.56 116.55 112.89 1ueq n ASP 43 Ca 0.00 0.00 -0.30 0.00 0.52 0.00 0.00 54.79 55.01 1ueq n ASP 43 Cb 0.27 0.00 0.12 0.00 -0.72 0.00 0.00 41.12 40.79 1ueq n ASP 43 CO 0.00 0.00 0.00 -1.61 -1.92 0.00 0.00 177.20 173.67 1ueq s GLU 44 N 0.00 1.48 0.70 -0.67 2.02 -1.04 -4.60 118.70 116.58 1ueq s GLU 44 Ca 0.00 0.70 -0.13 0.00 0.02 0.00 0.00 54.97 55.56 1ueq s GLU 44 Cb 0.00 -1.84 0.02 0.00 0.10 0.00 0.00 34.13 32.40 1ueq s GLU 44 CO 0.00 -2.06 1.09 -0.06 0.02 0.00 0.00 175.26 174.25 1ueq s PHE 45 N -3.04 2.73 -0.09 1.61 0.08 -1.26 -4.26 117.98 113.75 1ueq s PHE 45 Ca 0.63 1.53 0.03 0.00 0.12 0.00 0.00 56.93 59.23 1ueq s PHE 45 Cb -0.17 -3.06 -0.01 0.00 -0.57 0.00 0.00 43.02 39.21 1ueq s PHE 45 CO 0.56 -1.58 -0.18 -0.51 -0.10 0.00 0.00 175.22 173.41 1ueq s LEU 46 N -5.30 2.48 0.11 -0.37 1.43 -1.26 -2.24 118.68 113.52 1ueq s LEU 46 Ca 0.63 -0.37 0.05 0.00 -1.03 0.00 0.00 54.13 53.41 1ueq s LEU 46 Cb -0.18 -1.51 -0.04 0.00 0.03 0.00 0.00 46.19 44.49 1ueq s LEU 46 CO 0.48 0.22 -0.13 -1.10 0.23 0.00 0.00 176.35 176.05 1ueq s GLN 47 N -0.01 0.94 -0.33 1.70 -0.21 -0.57 -0.84 119.66 120.34 1ueq s GLN 47 Ca -0.05 -1.17 -0.28 0.00 0.02 0.00 0.00 55.36 53.87 1ueq s GLN 47 Cb -0.15 -0.79 -0.02 0.00 1.00 0.00 0.00 33.01 33.06 1ueq s GLN 47 CO 0.05 0.15 1.80 0.08 -2.12 0.00 0.00 175.29 175.25 1ueq s VAL 48 N -2.08 3.47 0.16 1.09 1.01 0.52 -0.88 120.40 123.70 1ueq s VAL 48 Ca 0.06 0.48 -0.13 0.00 0.00 0.00 0.00 61.98 62.39 1ueq s VAL 48 Cb -0.05 -3.64 0.05 0.00 0.00 0.00 0.00 36.38 32.74 1ueq s VAL 48 CO 0.02 -0.42 1.72 0.50 0.00 0.00 0.00 175.10 176.92 1ueq h LYS 49 N 12.90 0.81 -1.99 2.72 3.64 -0.98 -0.80 116.57 132.87 1ueq h LYS 49 Ca -0.34 -0.15 -0.04 0.00 -1.27 0.00 0.00 60.65 58.86 1ueq h LYS 49 Cb 1.17 -0.13 -0.21 0.00 -0.41 0.00 0.00 32.23 32.65 1ueq h LYS 49 CO 1.03 0.70 0.15 -1.12 -2.27 0.00 0.00 179.45 177.95 1ueq s SER 50 N -6.03 -0.72 -0.22 4.20 0.01 -1.16 -4.69 113.70 105.09 1ueq s SER 50 Ca -0.13 1.26 -0.18 0.00 1.31 0.00 0.00 55.95 58.21 1ueq s SER 50 Cb 0.12 1.23 -0.03 0.00 0.21 0.00 0.00 66.02 67.55 1ueq s SER 50 CO 0.78 -0.33 0.51 -0.69 0.41 0.00 0.00 173.24 173.92 1ueq s VAL 51 N 0.00 5.09 0.07 3.43 1.01 -1.26 -0.56 120.40 128.18 1ueq s VAL 51 Ca -0.03 0.92 -0.30 0.00 0.00 0.00 0.00 61.98 62.57 1ueq s VAL 51 Cb -0.04 -3.83 -0.05 0.00 0.00 0.00 0.00 36.38 32.46 1ueq s VAL 51 CO 0.03 0.15 1.00 -0.63 0.00 0.00 0.00 175.10 175.64 1ueq s ILE 52 N 1.88 4.56 1.06 2.22 1.09 0.37 -4.94 121.20 127.44 1ueq s ILE 52 Ca 0.23 1.98 -0.12 0.00 -1.10 0.00 0.00 60.65 61.64 1ueq s ILE 52 Cb -0.15 -4.27 0.23 0.00 -1.06 0.00 0.00 42.46 37.20 1ueq s ILE 52 CO 0.09 0.23 1.06 -2.16 -0.10 0.00 0.00 174.94 174.07 1ueq s PRO 53 N 0.47 -0.12 -1.82 2.79 0.04 -1.26 -3.95 135.00 131.15 1ueq s PRO 53 Ca 0.50 0.76 0.00 0.00 0.04 0.00 0.00 61.00 62.30 1ueq s PRO 53 Cb -0.23 -1.65 0.00 0.00 0.04 0.00 0.00 34.50 32.65 1ueq s PRO 53 CO 0.29 -3.17 0.00 -0.25 0.04 0.00 0.00 177.00 173.92 1ueq n ASP 54 N -4.51 -5.69 -4.63 6.66 9.92 -1.26 -4.95 116.55 112.10 1ueq n ASP 54 Ca 0.05 0.10 -0.31 0.00 -0.53 0.00 0.00 54.79 54.09 1ueq n ASP 54 Cb 0.55 -4.80 -0.08 0.00 -0.64 0.00 0.00 41.12 36.16 1ueq n ASP 54 CO 0.00 0.00 0.00 -0.83 0.13 0.00 0.00 177.20 176.50 1ueq s GLY 55 N -2.18 2.91 0.27 0.44 0.00 -1.25 -5.06 107.32 102.46 1ueq s GLY 55 Ca 0.00 -0.66 0.13 0.00 0.00 0.00 0.00 44.72 44.19 1ueq s GLY 55 CO 0.00 -2.12 1.56 -0.56 0.00 0.00 0.00 173.10 171.98 1ueq h PRO 56 N 1.46 0.00 -0.02 2.90 0.13 -1.89 -2.59 132.00 132.00 1ueq h PRO 56 Ca -0.42 0.00 -0.01 0.00 -0.87 0.00 0.00 66.00 64.70 1ueq h PRO 56 Cb 1.30 0.00 -0.00 0.00 0.13 0.00 0.00 31.00 32.43 1ueq h PRO 56 CO 0.71 0.60 -0.01 0.00 -0.23 0.00 0.00 178.00 179.08 1ueq h ALA 57 N 1.40 0.03 -0.18 -0.56 0.00 -1.89 -2.97 119.26 115.09 1ueq h ALA 57 Ca -0.01 -0.21 -0.02 0.00 0.00 0.00 0.00 54.91 54.67 1ueq h ALA 57 Cb 1.20 -0.01 -0.01 0.00 0.00 0.00 0.00 17.79 18.97 1ueq h ALA 57 CO 0.08 -0.26 0.00 0.00 0.00 0.00 0.00 179.25 179.07 1ueq h ALA 58 N 0.60 1.68 0.00 0.00 0.00 -1.76 0.30 119.26 120.08 1ueq h ALA 58 Ca 0.00 -0.11 0.00 0.00 0.00 0.00 0.00 54.91 54.80 1ueq h ALA 58 Cb 0.43 -0.08 0.00 0.00 0.00 0.00 0.00 17.79 18.13 1ueq h ALA 58 CO 0.00 0.25 0.00 1.96 0.00 0.00 0.00 179.25 181.46 1ueq h GLN 59 N 0.25 0.00 0.15 0.00 4.20 -1.51 -3.28 115.11 114.92 1ueq h GLN 59 Ca 0.06 0.00 -0.30 0.00 0.06 0.00 0.00 58.65 58.47 1ueq h GLN 59 Cb 0.17 0.00 0.00 0.00 0.30 0.00 0.00 27.48 27.96 1ueq h GLN 59 CO 0.00 0.00 -1.50 0.22 -0.67 0.00 0.00 178.83 176.88 1ueq h ASP 60 N 0.00 0.48 0.00 1.46 3.58 -1.08 -3.49 116.42 117.37 1ueq h ASP 60 Ca 0.00 -0.89 0.00 0.00 0.42 0.00 0.00 57.03 56.56 1ueq h ASP 60 Cb 0.87 -0.16 0.00 0.00 1.72 0.00 0.00 39.33 41.76 1ueq h ASP 60 CO 0.00 1.67 0.00 0.61 -2.88 0.00 0.00 179.24 178.64 1ueq n GLY 61 N 1.78 0.60 0.05 -0.78 0.00 -0.02 -4.86 105.19 101.97 1ueq n GLY 61 Ca -0.24 0.00 0.14 0.00 0.00 0.00 0.00 46.02 45.92 1ueq n GLY 61 CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 173.32 173.60 1ueq n LYS 62 N -1.94 0.36 -5.06 1.61 5.02 -1.26 -4.82 118.16 112.08 1ueq n LYS 62 Ca 0.00 -0.11 -0.29 0.00 -2.02 0.00 0.00 58.31 55.89 1ueq n LYS 62 Cb 0.04 -1.50 -0.15 0.00 -0.02 0.00 0.00 35.03 33.40 1ueq n LYS 62 CO 0.00 0.00 0.00 1.41 -0.52 0.00 0.00 177.40 178.29 1ueq s MET 63 N -2.72 1.80 0.31 1.97 1.75 -1.26 -4.88 119.30 116.28 1ueq s MET 63 Ca 0.22 -0.87 0.06 0.00 -1.25 0.00 0.00 55.69 53.85 1ueq s MET 63 Cb 0.19 -1.79 -0.02 0.00 2.84 0.00 0.00 34.83 36.05 1ueq s MET 63 CO 0.53 0.48 0.28 -0.85 -0.65 0.00 0.00 175.02 174.82 1ueq n GLU 64 N 2.35 0.41 -3.18 4.11 0.28 -1.26 -4.84 120.64 118.51 1ueq n GLU 64 Ca -0.16 -3.05 -0.39 0.00 -0.16 0.00 0.00 57.16 53.40 1ueq n GLU 64 Cb 0.52 2.55 -0.05 0.00 1.43 0.00 0.00 31.44 35.88 1ueq n GLU 64 CO 0.00 0.00 0.00 0.99 -0.16 0.00 0.00 177.13 177.96 1ueq s THR 65 N -3.21 4.93 0.00 3.84 2.01 -1.26 -3.79 115.64 118.16 1ueq s THR 65 Ca 0.36 1.28 0.00 0.00 0.31 0.00 0.00 61.69 63.64 1ueq s THR 65 Cb 0.02 -3.95 0.00 0.00 0.01 0.00 0.00 72.50 68.58 1ueq s THR 65 CO 0.26 0.39 0.00 0.61 -0.69 0.00 0.00 174.62 175.18 1ueq n GLY 66 N 2.58 1.42 3.74 4.40 0.00 -0.31 -4.94 105.19 112.09 1ueq n GLY 66 Ca -0.06 0.00 -0.38 0.00 0.00 0.00 0.00 46.02 45.59 1ueq n GLY 66 CO 0.00 0.00 0.00 0.99 0.00 0.00 0.00 173.32 174.31 1ueq s ASP 67 N -1.60 4.91 -0.25 1.61 1.01 -1.25 -4.67 116.67 116.43 1ueq s ASP 67 Ca 0.00 2.70 -0.11 0.00 0.71 0.00 0.00 52.55 55.85 1ueq s ASP 67 Cb 0.00 -2.63 -0.05 0.00 1.01 0.00 0.00 42.92 41.25 1ueq s ASP 67 CO 0.00 -1.81 0.20 -0.69 0.21 0.00 0.00 175.17 173.09 1ueq s VAL 68 N -1.35 5.32 -0.51 -1.27 1.01 -0.89 -0.35 120.40 122.36 1ueq s VAL 68 Ca 0.77 0.24 -0.28 0.00 0.00 0.00 0.00 61.98 62.71 1ueq s VAL 68 Cb -0.39 -3.54 0.01 0.00 0.00 0.00 0.00 36.38 32.46 1ueq s VAL 68 CO 0.44 0.29 1.49 -0.63 0.00 0.00 0.00 175.10 176.69 1ueq s ILE 69 N 1.40 3.75 -0.11 2.22 1.09 -0.02 -1.74 121.20 127.78 1ueq s ILE 69 Ca 0.09 0.68 -0.07 0.00 -1.10 0.00 0.00 60.65 60.24 1ueq s ILE 69 Cb -0.15 -4.26 -0.06 0.00 -1.06 0.00 0.00 42.46 36.93 1ueq s ILE 69 CO 0.07 -0.97 0.16 0.58 -0.10 0.00 0.00 174.94 174.69 1ueq h VAL 70 N 6.49 0.42 -3.96 2.92 2.07 -1.53 -3.37 116.25 119.28 1ueq h VAL 70 Ca -0.28 -1.32 -0.38 0.00 0.82 0.00 0.00 66.70 65.55 1ueq h VAL 70 Cb 1.11 0.79 -0.22 0.00 -1.52 0.00 0.00 31.29 31.45 1ueq h VAL 70 CO 1.14 0.14 -0.77 -0.31 0.02 0.00 0.00 177.57 177.80 1ueq s TYR 71 N -1.75 1.06 -0.18 1.57 2.02 -1.15 -2.78 117.35 116.13 1ueq s TYR 71 Ca -0.06 -0.46 0.01 0.00 -0.37 0.00 0.00 57.07 56.19 1ueq s TYR 71 Cb -0.00 -0.61 0.04 0.00 -0.40 0.00 0.00 41.96 40.99 1ueq s TYR 71 CO 0.18 0.02 -0.11 0.42 -1.57 0.00 0.00 175.55 174.48 1ueq s ILE 72 N -1.25 1.59 0.00 2.71 1.01 -0.74 -2.42 121.20 122.09 1ueq s ILE 72 Ca -0.04 -0.86 0.00 0.00 0.00 0.00 0.00 60.65 59.75 1ueq s ILE 72 Cb -0.10 -1.61 0.00 0.00 0.01 0.00 0.00 42.46 40.76 1ueq s ILE 72 CO 0.02 0.26 0.00 -3.20 0.00 0.00 0.00 174.94 172.02 1ueq n ASN 73 N 4.72 0.00 0.00 3.58 2.85 0.56 -0.84 115.26 126.14 1ueq n ASN 73 Ca -0.15 0.00 0.00 0.00 -0.11 0.00 0.00 54.58 54.32 1ueq n ASN 73 Cb 0.48 0.00 0.00 0.00 1.24 0.00 0.00 39.78 41.50 1ueq n ASN 73 CO 0.00 0.00 0.00 -1.84 -2.11 0.00 0.00 177.26 173.31 1ueq n GLU 74 N 0.00 0.00 -4.30 1.20 0.28 -1.26 -4.64 120.64 111.92 1ueq n GLU 74 Ca 0.00 0.00 -0.34 0.00 -0.16 0.00 0.00 57.16 56.66 1ueq n GLU 74 Cb 0.00 0.00 -0.12 0.00 1.43 0.00 0.00 31.44 32.75 1ueq n GLU 74 CO 0.00 0.00 0.00 0.08 -0.16 0.00 0.00 177.13 177.05 1ueq s VAL 75 N 0.00 3.91 -1.08 3.84 1.01 -0.02 -5.04 120.40 123.02 1ueq s VAL 75 Ca 0.00 -0.35 -0.22 0.00 0.00 0.00 0.00 61.98 61.41 1ueq s VAL 75 Cb 0.00 -2.73 0.04 0.00 0.00 0.00 0.00 36.38 33.69 1ueq s VAL 75 CO 0.00 0.47 1.60 0.00 0.00 0.00 0.00 175.10 177.18 1ueq n VAL 77 N 6.94 0.09 0.27 0.00 0.24 -1.12 -4.59 118.33 120.17 1ueq n VAL 77 Ca 0.38 -0.30 0.18 0.00 -2.04 0.00 0.00 64.34 62.56 1ueq n VAL 77 Cb 0.49 0.48 0.97 0.00 -1.47 0.00 0.00 33.84 34.31 1ueq n VAL 77 CO 0.00 0.00 0.00 0.17 -2.14 0.00 0.00 176.83 174.86 1ueq h LEU 78 N 2.39 0.00 -2.94 1.34 8.10 -1.69 0.20 115.31 122.72 1ueq h LEU 78 Ca 0.00 0.00 -0.00 0.00 0.11 0.00 0.00 57.88 57.99 1ueq h LEU 78 Cb 0.51 0.00 -0.01 0.00 -0.44 0.00 0.00 40.66 40.73 1ueq h LEU 78 CO 0.00 0.00 -0.18 0.61 -4.11 0.00 0.00 178.44 174.76 1ueq n GLY 79 N -1.14 4.59 3.98 0.17 0.00 -1.26 -4.04 105.19 107.49 1ueq n GLY 79 Ca -0.02 -1.10 -0.20 0.00 0.00 0.00 0.00 46.02 44.69 1ueq n GLY 79 CO 0.00 0.00 0.00 -1.58 0.00 0.00 0.00 173.32 171.74 1ueq s HIS 80 N -2.72 2.99 0.27 1.61 2.46 0.72 -3.32 115.29 117.28 1ueq s HIS 80 Ca 0.31 -0.08 -0.29 0.00 0.47 0.00 0.00 55.06 55.47 1ueq s HIS 80 Cb 0.29 -2.42 -0.09 0.00 -0.13 0.00 0.00 32.58 30.23 1ueq s HIS 80 CO -0.00 -0.48 1.18 0.95 -2.47 0.00 0.00 174.74 173.91 1ueq s THR 81 N -2.51 3.32 0.22 0.89 -4.23 -1.26 -4.67 115.64 107.40 1ueq s THR 81 Ca 0.52 1.26 -0.07 0.00 -1.18 0.00 0.00 61.69 62.22 1ueq s THR 81 Cb -0.10 -3.81 0.17 0.00 1.34 0.00 0.00 72.50 70.11 1ueq s THR 81 CO 0.36 0.27 1.75 -0.74 -0.54 0.00 0.00 174.62 175.72 1ueq h HIS 82 N 4.12 0.49 -0.73 3.99 2.76 -1.95 -2.07 115.15 121.77 1ueq h HIS 82 Ca -0.47 0.03 0.08 0.00 -2.20 0.00 0.00 60.37 57.82 1ueq h HIS 82 Cb 1.22 -0.12 -0.05 0.00 1.55 0.00 0.00 27.41 30.01 1ueq h HIS 82 CO 0.59 0.12 0.48 0.00 -1.30 0.00 0.00 177.93 177.83 1ueq h ALA 83 N 1.46 1.77 0.50 5.26 0.00 -1.98 0.27 119.26 126.53 1ueq h ALA 83 Ca 0.35 -0.01 -0.02 0.00 0.00 0.00 0.00 54.91 55.22 1ueq h ALA 83 Cb 0.45 -0.17 0.00 0.00 0.00 0.00 0.00 17.79 18.07 1ueq h ALA 83 CO -0.32 0.10 -0.24 0.22 0.00 0.00 0.00 179.25 179.00 1ueq h ASP 84 N 0.70 -0.56 -0.81 0.00 1.82 -1.77 -1.44 116.42 114.36 1ueq h ASP 84 Ca 0.33 -0.07 0.12 0.00 -0.39 0.00 0.00 57.03 57.01 1ueq h ASP 84 Cb 0.37 0.15 -0.08 0.00 0.68 0.00 0.00 39.33 40.44 1ueq h ASP 84 CO -0.11 -0.21 0.42 0.58 -1.61 0.00 0.00 179.24 178.31 1ueq h VAL 85 N -0.97 0.80 -0.66 2.25 2.07 -1.14 0.20 116.25 118.80 1ueq h VAL 85 Ca -0.07 -0.23 -0.06 0.00 0.82 0.00 0.00 66.70 67.17 1ueq h VAL 85 Cb 0.60 0.09 -0.03 0.00 -1.52 0.00 0.00 31.29 30.43 1ueq h VAL 85 CO 0.11 0.12 0.17 0.58 0.02 0.00 0.00 177.57 178.57 1ueq h VAL 86 N 0.66 1.25 -0.18 2.57 2.07 -0.50 -0.30 116.25 121.82 1ueq h VAL 86 Ca 0.42 -0.91 -0.10 0.00 0.82 0.00 0.00 66.70 66.92 1ueq h VAL 86 Cb 0.50 0.56 -0.01 0.00 -1.52 0.00 0.00 31.29 30.81 1ueq h VAL 86 CO -0.31 0.35 -0.33 0.07 0.02 0.00 0.00 177.57 177.37 1ueq h LYS 87 N 1.00 0.38 0.07 1.57 5.09 0.28 -2.26 116.57 122.70 1ueq h LYS 87 Ca 0.21 -0.16 -0.00 0.00 0.09 0.00 0.00 60.65 60.79 1ueq h LYS 87 Cb 0.33 -0.01 0.00 0.00 0.10 0.00 0.00 32.23 32.65 1ueq h LYS 87 CO -0.00 0.67 -0.03 -0.07 -2.09 0.00 0.00 179.45 177.93 1ueq h LEU 88 N 0.33 -0.08 -0.90 7.07 3.38 -0.17 -0.52 115.31 124.42 1ueq h LEU 88 Ca 0.04 -0.13 -0.02 0.00 0.09 0.00 0.00 57.88 57.86 1ueq h LEU 88 Cb 0.75 0.02 -0.04 0.00 0.09 0.00 0.00 40.66 41.48 1ueq h LEU 88 CO 0.06 0.09 0.49 -0.26 0.09 0.00 0.00 178.44 178.90 1ueq h PHE 89 N -0.24 1.24 -0.07 1.13 0.04 -0.93 -1.21 116.94 116.89 1ueq h PHE 89 Ca -0.01 -0.03 -0.11 0.00 2.80 0.00 0.00 57.97 60.62 1ueq h PHE 89 Cb 0.21 -0.39 -0.01 0.00 2.20 0.00 0.00 35.95 37.95 1ueq h PHE 89 CO -0.02 0.86 -0.45 1.96 -0.60 0.00 0.00 178.31 180.05 1ueq h GLN 90 N 1.26 0.17 0.00 1.51 4.20 -1.34 -3.00 115.11 117.91 1ueq h GLN 90 Ca 0.32 -0.09 0.00 0.00 0.06 0.00 0.00 58.65 58.94 1ueq h GLN 90 Cb 0.03 0.00 0.00 0.00 0.30 0.00 0.00 27.48 27.81 1ueq h GLN 90 CO -0.05 0.60 0.00 -1.13 -0.67 0.00 0.00 178.83 177.58 1ueq n SER 91 N -3.99 0.00 -4.59 1.46 3.41 -0.21 -4.40 113.62 105.30 1ueq n SER 91 Ca -0.02 -0.46 -0.43 0.00 -0.26 0.00 0.00 58.87 57.71 1ueq n SER 91 Cb 0.50 -0.02 -0.04 0.00 -0.26 0.00 0.00 64.21 64.39 1ueq n SER 91 CO 0.00 0.00 0.00 -0.69 -0.16 0.00 0.00 175.04 174.19 1ueq s VAL 92 N -2.05 4.53 0.91 -3.33 1.01 -1.14 -5.06 120.40 115.27 1ueq s VAL 92 Ca 0.23 1.01 -0.14 0.00 0.00 0.00 0.00 61.98 63.08 1ueq s VAL 92 Cb 0.11 -4.38 0.16 0.00 0.00 0.00 0.00 36.38 32.27 1ueq s VAL 92 CO 0.19 -0.67 1.27 -2.16 0.00 0.00 0.00 175.10 173.73 1ueq s PRO 93 N 3.62 1.10 0.66 2.72 0.04 -1.26 -5.00 135.00 136.88 1ueq s PRO 93 Ca 0.38 -0.25 -0.18 0.00 0.04 0.00 0.00 61.00 61.00 1ueq s PRO 93 Cb -0.11 -1.89 -0.00 0.00 0.04 0.00 0.00 34.50 32.54 1ueq s PRO 93 CO 0.22 -2.12 1.27 -0.89 0.04 0.00 0.00 177.00 175.52 1ueq n ILE 94 N -3.60 4.69 0.00 0.56 5.41 -1.26 -2.76 119.36 122.40 1ueq n ILE 94 Ca 0.13 -0.48 0.00 0.00 1.00 0.00 0.00 62.75 63.40 1ueq n ILE 94 Cb 0.60 -1.46 0.00 0.00 -0.71 0.00 0.00 39.64 38.07 1ueq n ILE 94 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 176.55 177.16 1ueq n GLY 95 N 0.91 2.65 3.97 7.39 0.00 -1.26 -5.03 105.19 113.82 1ueq n GLY 95 Ca 0.16 0.00 -0.21 0.00 0.00 0.00 0.00 46.02 45.96 1ueq n GLY 95 CO 0.00 0.00 0.00 1.20 0.00 0.00 0.00 173.32 174.52 1ueq s GLN 96 N -0.34 3.13 0.11 1.61 -1.52 -1.11 -4.87 119.66 116.66 1ueq s GLN 96 Ca 0.00 -0.69 0.04 0.00 -1.95 0.00 0.00 55.36 52.76 1ueq s GLN 96 Cb 0.00 -2.69 -0.04 0.00 -0.22 0.00 0.00 33.01 30.07 1ueq s GLN 96 CO 0.00 -0.07 -0.11 -1.54 -0.25 0.00 0.00 175.29 173.32 1ueq s SER 97 N -4.17 1.57 0.00 5.90 1.04 -1.26 -0.46 113.70 116.33 1ueq s SER 97 Ca 0.46 -0.83 -0.03 0.00 0.48 0.00 0.00 55.95 56.03 1ueq s SER 97 Cb -0.10 -0.01 -0.01 0.00 0.10 0.00 0.00 66.02 66.01 1ueq s SER 97 CO 0.35 -0.25 0.04 0.68 0.98 0.00 0.00 173.24 175.04 1ueq s VAL 98 N -2.47 0.08 0.37 5.02 -7.23 -1.02 -5.01 120.40 110.15 1ueq s VAL 98 Ca 0.07 -0.63 -0.11 0.00 -1.81 0.00 0.00 61.98 59.49 1ueq s VAL 98 Cb -0.03 -0.28 -0.07 0.00 0.56 0.00 0.00 36.38 36.57 1ueq s VAL 98 CO 0.01 -0.35 0.74 0.20 -0.31 0.00 0.00 175.10 175.39 1ueq s ASN 99 N -1.09 6.57 0.01 4.85 0.01 -1.26 -3.16 114.94 120.87 1ueq s ASN 99 Ca -0.12 1.13 -0.02 0.00 -0.71 0.00 0.00 52.86 53.14 1ueq s ASN 99 Cb -0.07 -2.32 -0.01 0.00 0.41 0.00 0.00 41.25 39.26 1ueq s ASN 99 CO 0.00 -0.33 0.01 -0.76 -1.51 0.00 0.00 177.10 174.51 1ueq s LEU 100 N -3.60 2.06 -0.11 0.60 1.43 -0.06 -0.32 118.68 118.69 1ueq s LEU 100 Ca 0.51 -0.38 -0.01 0.00 -1.03 0.00 0.00 54.13 53.22 1ueq s LEU 100 Cb -0.10 0.22 0.03 0.00 0.03 0.00 0.00 46.19 46.36 1ueq s LEU 100 CO 0.28 -0.28 -0.04 -0.69 0.23 0.00 0.00 176.35 175.85 1ueq s VAL 101 N -1.28 0.76 0.35 -1.59 1.01 -1.02 -1.94 120.40 116.69 1ueq s VAL 101 Ca -0.14 -0.18 0.08 0.00 0.00 0.00 0.00 61.98 61.74 1ueq s VAL 101 Cb -0.08 -0.88 -0.05 0.00 0.00 0.00 0.00 36.38 35.37 1ueq s VAL 101 CO -0.00 0.27 0.08 -0.76 0.00 0.00 0.00 175.10 174.68 1ueq s LEU 102 N 1.81 3.09 -0.10 3.92 1.43 -0.58 -1.37 118.68 126.88 1ueq s LEU 102 Ca 0.04 -0.94 0.01 0.00 -1.03 0.00 0.00 54.13 52.21 1ueq s LEU 102 Cb -0.13 -1.48 0.02 0.00 0.03 0.00 0.00 46.19 44.63 1ueq s LEU 102 CO -0.07 -0.31 -0.12 0.00 0.23 0.00 0.00 176.35 176.08 1ueq s ARG 104 N 1.15 3.85 0.00 0.00 3.52 0.09 -2.09 118.95 125.46 1ueq s ARG 104 Ca -0.04 -0.29 0.00 0.00 -0.13 0.00 0.00 55.73 55.26 1ueq s ARG 104 Cb -0.14 -3.21 0.00 0.00 -1.56 0.00 0.00 34.95 30.04 1ueq s ARG 104 CO -0.03 0.40 0.00 0.41 -0.81 0.00 0.00 175.30 175.27 1ueq n GLY 105 N 3.16 1.42 3.65 8.12 0.00 -1.26 -0.78 105.19 119.49 1ueq n GLY 105 Ca -0.17 0.00 -0.35 0.00 0.00 0.00 0.00 46.02 45.50 1ueq n GLY 105 CO 0.00 0.00 0.00 -0.19 0.00 0.00 0.00 173.32 173.13 1ueq s TYR 106 N -1.87 3.26 1.05 1.61 1.51 -1.26 -4.77 117.35 116.89 1ueq s TYR 106 Ca 0.00 0.09 -0.15 0.00 -1.01 0.00 0.00 57.07 56.01 1ueq s TYR 106 Cb 0.00 -2.05 0.22 0.00 -0.11 0.00 0.00 41.96 40.01 1ueq s TYR 106 CO 0.00 0.20 1.11 -1.25 -1.11 0.00 0.00 175.55 174.50 1ueq s PRO 107 N 0.23 -0.03 0.59 -1.71 0.04 -1.26 -4.64 135.00 128.22 1ueq s PRO 107 Ca 0.04 0.27 -0.17 0.00 0.04 0.00 0.00 61.00 61.17 1ueq s PRO 107 Cb -0.12 -1.71 -0.04 0.00 0.04 0.00 0.00 34.50 32.68 1ueq s PRO 107 CO 0.00 -2.99 1.10 -0.51 0.04 0.00 0.00 177.00 174.65 1ueq s LEU 108 N -6.55 3.59 0.14 -3.56 1.43 -1.26 -4.94 118.68 107.53 1ueq s LEU 108 Ca 0.67 2.04 0.10 0.00 -1.03 0.00 0.00 54.13 55.91 1ueq s LEU 108 Cb -0.15 -4.56 -0.14 0.00 0.03 0.00 0.00 46.19 41.37 1ueq s LEU 108 CO 0.56 -1.33 1.24 1.55 0.23 0.00 0.00 176.35 178.61 1ueq h PRO 109 N 0.70 0.00 -6.51 1.29 0.13 -1.96 -3.41 132.00 122.24 1ueq h PRO 109 Ca -0.48 0.00 -0.55 0.00 -0.87 0.00 0.00 66.00 64.09 1ueq h PRO 109 Cb 1.25 0.00 -0.08 0.00 0.13 0.00 0.00 31.00 32.30 1ueq h PRO 109 CO 0.56 0.79 0.97 0.12 -0.23 0.00 0.00 178.00 180.21 1ueq s PHE 110 N -2.77 2.57 -0.43 1.56 5.36 -1.26 -5.00 117.98 118.00 1ueq s PHE 110 Ca 0.01 0.33 -0.15 0.00 -0.96 0.00 0.00 56.93 56.16 1ueq s PHE 110 Cb 0.09 -4.51 0.05 0.00 -0.34 0.00 0.00 43.02 38.30 1ueq s PHE 110 CO 0.80 -1.65 0.33 -0.51 -1.46 0.00 0.00 175.22 172.73 1ueq s ASP 111 N 3.07 6.07 0.25 6.13 1.01 -1.26 -4.97 116.67 126.97 1ueq s ASP 111 Ca 0.41 -1.11 0.15 0.00 0.71 0.00 0.00 52.55 52.71 1ueq s ASP 111 Cb -0.08 -2.15 0.04 0.00 1.01 0.00 0.00 42.92 41.74 1ueq s ASP 111 CO 0.24 -0.53 1.36 1.55 0.21 0.00 0.00 175.17 178.00 1ueq h PRO 112 N 8.65 0.00 0.60 8.23 0.13 -1.98 -3.34 132.00 144.30 1ueq h PRO 112 Ca -0.27 0.00 -0.03 0.00 -0.87 0.00 0.00 66.00 64.83 1ueq h PRO 112 Cb 1.11 0.00 0.01 0.00 0.13 0.00 0.00 31.00 32.25 1ueq h PRO 112 CO 0.79 0.46 -0.29 0.93 -0.23 0.00 0.00 178.00 179.66 1ueq h GLU 113 N 0.00 -0.78 -0.32 0.86 4.39 -2.04 -3.43 114.58 113.26 1ueq h GLU 113 Ca -0.02 0.05 -0.15 0.00 0.34 0.00 0.00 59.36 59.57 1ueq h GLU 113 Cb 1.40 0.18 -0.15 0.00 -0.10 0.00 0.00 28.75 30.08 1ueq h GLU 113 CO 0.06 -0.52 -0.39 -0.40 -1.16 0.00 0.00 179.01 176.60 1ueq n ASP 114 N -4.65 -2.70 -0.22 1.42 5.75 -1.26 -5.06 116.55 109.83 1ueq n ASP 114 Ca -0.10 -2.74 -0.08 0.00 -0.01 0.00 0.00 54.79 51.86 1ueq n ASP 114 Cb 0.32 1.55 0.03 0.00 -1.03 0.00 0.00 41.12 41.98 1ueq n ASP 114 CO 0.00 0.00 0.00 1.55 -0.11 0.00 0.00 177.20 178.64 1ueq h PRO 115 N 4.19 0.94 -0.72 0.11 0.13 -1.85 -3.41 132.00 131.39 1ueq h PRO 115 Ca -0.09 -0.20 0.14 0.00 -0.87 0.00 0.00 66.00 64.99 1ueq h PRO 115 Cb 1.09 -0.14 -0.21 0.00 0.13 0.00 0.00 31.00 31.87 1ueq h PRO 115 CO 0.12 0.83 -0.13 0.00 -0.23 0.00 0.00 178.00 178.58 1ueq s ALA 116 N -5.45 -2.79 0.17 -0.56 0.00 -1.26 -5.06 121.76 106.81 1ueq s ALA 116 Ca -0.13 1.59 -0.03 0.00 0.00 0.00 0.00 51.96 53.39 1ueq s ALA 116 Cb 0.13 -2.37 -0.03 0.00 0.00 0.00 0.00 23.12 20.85 1ueq s ALA 116 CO 0.81 -1.48 0.15 -0.80 0.00 0.00 0.00 175.76 174.43 1ueq s ASN 117 N 2.89 0.18 -0.28 0.00 0.01 -1.26 -5.12 114.94 111.36 1ueq s ASN 117 Ca 0.13 -1.23 -0.03 0.00 -0.71 0.00 0.00 52.86 51.02 1ueq s ASN 117 Cb -0.12 0.37 0.09 0.00 0.41 0.00 0.00 41.25 42.00 1ueq s ASN 117 CO -0.18 -0.83 0.10 -0.44 -1.51 0.00 0.00 177.10 174.24 1ueq s SER 118 N -3.09 3.56 0.64 -1.22 0.01 -1.26 -5.14 113.70 107.20 1ueq s SER 118 Ca 0.30 -1.31 -0.15 0.00 1.31 0.00 0.00 55.95 56.10 1ueq s SER 118 Cb 0.06 -0.57 -0.01 0.00 0.21 0.00 0.00 66.02 65.71 1ueq s SER 118 CO 0.07 -0.41 1.09 -0.83 0.41 0.00 0.00 173.24 173.57 1ueq s GLY 119 N 1.89 2.14 0.96 3.44 0.00 -1.26 -5.07 107.32 109.41 1ueq s GLY 119 Ca 0.07 0.49 -0.15 0.00 0.00 0.00 0.00 44.72 45.14 1ueq s GLY 119 CO -0.27 0.83 1.20 2.56 0.00 0.00 0.00 173.10 177.42 1ueq s PRO 120 N -4.10 0.68 -0.18 2.90 0.04 -1.26 -5.08 135.00 128.00 1ueq s PRO 120 Ca 0.66 -0.02 0.01 0.00 0.04 0.00 0.00 61.00 61.69 1ueq s PRO 120 Cb -0.19 -1.81 0.03 0.00 0.04 0.00 0.00 34.50 32.56 1ueq s PRO 120 CO 0.40 -2.45 -0.18 0.45 0.04 0.00 0.00 177.00 175.27 1ueq s SER 121 N -4.35 3.21 0.98 6.66 0.15 -1.26 -5.02 113.70 114.07 1ueq s SER 121 Ca 0.68 -0.71 0.00 0.00 0.70 0.00 0.00 55.95 56.62 1ueq s SER 121 Cb -0.10 -1.43 0.00 0.00 -1.71 0.00 0.00 66.02 62.78 1ueq s SER 121 CO 0.53 -0.03 0.00 -1.20 1.20 0.00 0.00 173.24 173.74 1ueq n SER 122 N 4.63 -5.66 0.00 5.45 7.64 -1.26 -5.36 113.62 119.05 1ueq n SER 122 Ca -0.19 0.00 0.00 0.00 1.01 0.00 0.00 58.87 59.69 1ueq n SER 122 Cb 0.49 0.00 0.00 0.00 -1.01 0.00 0.00 64.21 63.69 1ueq n SER 122 CO 0.00 0.00 0.00 0.61 -3.01 0.00 0.00 175.04 172.64